O1-ethyl O3-[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(1-methylbutylamino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-oxo-2-(pentan-2-ylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H22N2O7/c1-4-6-11(3)18-15(20)10-26-17(22)13-7-12(16(21)25-5-2)8-14(9-13)19(23)24/h7-9,11H,4-6,10H2,1-3H3,(H,18,20)